CID 146990

N-butyl-n-nitrosoaniline

Structural Information

Molecular Formula
C10H14N2O
SMILES
CCCCN(C1=CC=CC=C1)N=O
InChI
InChI=1S/C10H14N2O/c1-2-3-9-12(11-13)10-7-5-4-6-8-10/h4-8H,2-3,9H2,1H3
InChIKey
VVVZFXFSDLELTI-UHFFFAOYSA-N
Compound name
N-butyl-N-phenylnitrous amide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

178.11061 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 179.11789 138.2
[M+Na]+ 201.09983 144.2
[M-H]- 177.10333 144.3
[M+NH4]+ 196.14443 158.8
[M+K]+ 217.07377 144.2
[M+H-H2O]+ 161.10787 130.9
[M+HCOO]- 223.10881 166.9
[M+CH3COO]- 237.12446 191.4
[M+Na-2H]- 199.08528 146.1
[M]+ 178.11006 140.8
[M]- 178.11116 140.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe